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1. Electronic Structure of trans‐ [V ^II Cl ₂ (E(CH ₃ ) ₂ CH ₂ CH ₂ E(CH ₃ ) ₂ ) ₂ ], E=N, P

   https://doi.org/10.1002/ejic.202400395  

   Jafari, Mehrafshan_G; Zolnhofer, Eva_M; Fehn, Dominik; Heinemann, Frank_W; Opalade, Adedamola_A; Carroll, Patrick_J; Meyer, Karsten; Krzystek, J.; Ozarowski, Andrew; Mindiola, Daniel_J; et al (December 2024, European Journal of Inorganic Chemistry)

   Abstract Coordination complexes of general formulatrans‐[MX₂(R₂ECH₂CH₂ER₂)₂] (M^II=Ti, V, Cr, Mn; E=N or P; R=alkyl or aryl) are a cornerstone of coordination and organometallic chemistry. We investigate the electronic properties of two such complexes,trans‐[VCl₂(tmeda)₂] andtrans‐[VCl₂(dmpe)₂], which thus representtrans‐[MX₂(R₂ECH₂CH₂ER₂)₂] where M=V, X=Cl, R=Me and E=N (tmeda) and P (dmpe). These V^IIcomplexes haveS=3/2 ground states, as expected for octahedral d³. Their tetragonal distortion leads to zero‐field splitting (zfs) that is modest in magnitude (D≈0.3 cm⁻¹) relative to analogousS=1 Ti^IIand Cr^IIcomplexes. This parameter was determined from conventional EPR spectroscopy, but more effectively from high‐frequency and ‐field EPR (HFEPR) that determined the sign ofDas negative for the diamine complex, but positive for the diphosphine, which information had not been known for anytrans‐[VX₂(R₂ECH₂CH₂ER₂)₂] systems. The ligand‐field parameters oftrans‐[VCl₂(tmeda)₂] andtrans‐[VCl₂(dmpe)₂] are obtained using both classical theory andab initioquantum chemical theory. The results shed light not only on the electronic structure of V^IIin this environment, but also on differences between N and P donor ligands, a key comparison in coordination chemistry. 

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2. Formation of the End-on Bound Lanthanide Dinitrogen Complexes [(R ₂ N) ₃ Ln–N═N–Ln(NR ₂ ) ₃ ] ^2– from Divalent [(R ₂ N) ₃ Ln] ^1– Salts (R = SiMe ₃ )

   https://doi.org/10.1021/jacs.0c01021  

   Ryan, Austin J.; Balasubramani, Sree ganesh; Ziller, Joseph W.; Furche, Filipp; Evans, William J. (May 2020, Journal of the American Chemical Society)

   null (Ed.)
3. Helium Nanodroplet Infrared Spectroscopic Studies of CH ₄ ⁺ and ¹³ CH ₃ ⁺

   https://doi.org/10.1021/acs.jpca.4c06858  

   Singh, Amandeep; Allison, Sofia H; Azhagesan, Andrew_Abhisek A; Vilesov, Andrey F (December 2024, The Journal of Physical Chemistry A)
4. Solid-State End-On to Side-On Isomerization of (N═N) ^2– in {[(R ₂ N) ₃ Nd] ₂ N ₂ } ^2– (R = SiMe ₃ ) Connects In Situ Ln ^III (NR ₂ ) ₃ /K and Isolated [Ln ^II (NR ₂ ) ₃ ] ^1– Dinitrogen Reduction

   https://doi.org/10.1021/jacs.2c06716  

   Chung, Amanda B.; Rappoport, Dmitrij; Ziller, Joseph W.; Cramer, Roger E.; Furche, Filipp; Evans, William J. (September 2022, Journal of the American Chemical Society)
5. Relative energetics of CH ₃ CH ₂ O, CH ₃ CHOH, and CH ₂ CH ₂ OH radical products from ethanol dehydrogenation

   https://doi.org/10.1063/5.0062809  

   Williams, Ashley E.; Hammer, Nathan I.; Tschumper, Gregory S. (September 2021, The Journal of Chemical Physics)